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Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'gerlach' and Initial = 'k'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Presenilin-1


(Homo sapiens (Human))		BDBM50272797
PNG
(CHEMBL4126886)
Show SMILES CCn1ncc2C[C@@H](CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C21H20ClFN6/c1-2-28-19-8-6-15(10-14(19)12-24-28)25-21-26-20-16(4-3-9-29(20)27-21)13-5-7-18(23)17(22)11-13/h3-5,7,9,11-12,15H,2,6,8,10H2,1H3,(H,25,27)/t15-/m1/s1
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272769
PNG
(CHEMBL4127386)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C21H20ClFN6/c1-2-28-19-8-6-15(10-14(19)12-24-28)25-21-26-20-16(4-3-9-29(20)27-21)13-5-7-18(23)17(22)11-13/h3-5,7,9,11-12,15H,2,6,8,10H2,1H3,(H,25,27)
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272768
PNG
(CHEMBL4129994)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C21H19F3N6/c1-2-29-18-6-5-14(8-13(18)11-25-29)26-21-27-20-15(4-3-7-30(20)28-21)12-9-16(22)19(24)17(23)10-12/h3-4,7,9-11,14H,2,5-6,8H2,1H3,(H,26,28)
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272887
PNG
(CHEMBL4126888)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1cncc(Cl)c1
Show InChI InChI=1S/C20H20ClN7/c1-2-27-18-6-5-16(9-14(18)11-23-27)24-20-25-19-17(4-3-7-28(19)26-20)13-8-15(21)12-22-10-13/h3-4,7-8,10-12,16H,2,5-6,9H2,1H3,(H,24,26)
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272886
PNG
(CHEMBL4127978)
Show SMILES CCn1ncc2C[C@@H](CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C |r|
Show InChI InChI=1S/C22H23FN6/c1-3-28-20-9-7-17(12-15(20)13-24-28)25-22-26-21-19(5-4-10-29(21)27-22)18-8-6-16(23)11-14(18)2/h4-6,8,10-11,13,17H,3,7,9,12H2,1-2H3,(H,25,27)/t17-/m1/s1
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272771
PNG
(CHEMBL4128038)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H21ClN6/c1-2-27-19-9-8-17(12-15(19)13-23-27)24-21-25-20-18(7-4-10-28(20)26-21)14-5-3-6-16(22)11-14/h3-7,10-11,13,17H,2,8-9,12H2,1H3,(H,24,26)
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272888
PNG
(CHEMBL4130152)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(nc1)N(C)C
Show InChI InChI=1S/C22H26N8/c1-4-29-19-9-8-17(12-16(19)14-24-29)25-22-26-21-18(6-5-11-30(21)27-22)15-7-10-20(23-13-15)28(2)3/h5-7,10-11,13-14,17H,4,8-9,12H2,1-3H3,(H,25,27)
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272755
PNG
(CHEMBL4126806)
Show SMILES CCCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C
Show InChI InChI=1S/C23H25FN6/c1-3-10-29-21-9-7-18(13-16(21)14-25-29)26-23-27-22-20(5-4-11-30(22)28-23)19-8-6-17(24)12-15(19)2/h4-6,8,11-12,14,18H,3,7,9-10,13H2,1-2H3,(H,26,28)
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272787
PNG
(CHEMBL4126658)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN6/c1-2-27-19-10-9-15(12-14(19)13-23-27)24-21-25-20-17(7-5-11-28(20)26-21)16-6-3-4-8-18(16)22/h3-8,11,13,15H,2,9-10,12H2,1H3,(H,24,26)
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272770
PNG
(CHEMBL4128778)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClN6/c1-2-27-19-10-9-17(12-15(19)13-23-27)24-21-25-20-18(4-3-11-28(20)26-21)14-5-7-16(22)8-6-14/h3-8,11,13,17H,2,9-10,12H2,1H3,(H,24,26)
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272884
PNG
(CHEMBL4128186)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C
Show InChI InChI=1S/C22H23FN6/c1-3-28-20-9-7-17(12-15(20)13-24-28)25-22-26-21-19(5-4-10-29(21)27-22)18-8-6-16(23)11-14(18)2/h4-6,8,10-11,13,17H,3,7,9,12H2,1-2H3,(H,25,27)
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272788
PNG
(CHEMBL4127324)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccccc1
Show InChI InChI=1S/C21H22N6/c1-2-26-19-11-10-17(13-16(19)14-22-26)23-21-24-20-18(9-6-12-27(20)25-21)15-7-4-3-5-8-15/h3-9,12,14,17H,2,10-11,13H2,1H3,(H,23,25)
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2


(Homo sapiens (Human))		BDBM50272737
PNG
(CHEMBL4128121)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H23N7O/c1-3-27-18-8-7-16(11-15(18)13-23-27)24-21-25-20-17(5-4-10-28(20)26-21)14-6-9-19(29-2)22-12-14/h4-6,9-10,12-13,16H,3,7-8,11H2,1-2H3,(H,24,26)
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n/an/a 90n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272922
PNG
(CHEMBL4129045)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1cnccc1OC
Show InChI InChI=1S/C21H23N7O/c1-3-27-18-7-6-15(11-14(18)12-23-27)24-21-25-20-16(5-4-10-28(20)26-21)17-13-22-9-8-19(17)29-2/h4-5,8-10,12-13,15H,3,6-7,11H2,1-2H3,(H,24,26)
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272789
PNG
(CHEMBL4125945)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccccc1C
Show InChI InChI=1S/C22H24N6/c1-3-27-20-11-10-17(13-16(20)14-23-27)24-22-25-21-19(9-6-12-28(21)26-22)18-8-5-4-7-15(18)2/h4-9,12,14,17H,3,10-11,13H2,1-2H3,(H,24,26)
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272790
PNG
(CHEMBL4126087)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H21FN6/c1-2-27-19-10-9-17(12-15(19)13-23-27)24-21-25-20-18(4-3-11-28(20)26-21)14-5-7-16(22)8-6-14/h3-8,11,13,17H,2,9-10,12H2,1H3,(H,24,26)
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272791
PNG
(CHEMBL4129505)
Show SMILES CCn1ncc2C[C@H](CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C21H20ClFN6/c1-2-28-19-8-6-15(10-14(19)12-24-28)25-21-26-20-16(4-3-9-29(20)27-21)13-5-7-18(23)17(22)11-13/h3-5,7,9,11-12,15H,2,6,8,10H2,1H3,(H,25,27)/t15-/m0/s1
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272923
PNG
(CHEMBL4127803)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1cncc(C)c1
Show InChI InChI=1S/C21H23N7/c1-3-27-19-7-6-17(10-16(19)13-23-27)24-21-25-20-18(5-4-8-28(20)26-21)15-9-14(2)11-22-12-15/h4-5,8-9,11-13,17H,3,6-7,10H2,1-2H3,(H,24,26)
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272895
PNG
(CHEMBL4126742)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1cncc(OC)c1
Show InChI InChI=1S/C21H23N7O/c1-3-27-19-7-6-16(9-15(19)12-23-27)24-21-25-20-18(5-4-8-28(20)26-21)14-10-17(29-2)13-22-11-14/h4-5,8,10-13,16H,3,6-7,9H2,1-2H3,(H,24,26)
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Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272767
PNG
(CHEMBL4128629)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1cccnc1
Show InChI InChI=1S/C20H21N7/c1-2-26-18-8-7-16(11-15(18)13-22-26)23-20-24-19-17(6-4-10-27(19)25-20)14-5-3-9-21-12-14/h3-6,9-10,12-13,16H,2,7-8,11H2,1H3,(H,23,25)
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n/an/a 350n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272757
PNG
(CHEMBL4129535)
Show SMILES Cc1cc(F)ccc1-c1cccn2nc(NC3CCc4c(C3)cnn4C)nc12
Show InChI InChI=1S/C21H21FN6/c1-13-10-15(22)5-7-17(13)18-4-3-9-28-20(18)25-21(26-28)24-16-6-8-19-14(11-16)12-23-27(19)2/h3-5,7,9-10,12,16H,6,8,11H2,1-2H3,(H,24,26)
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n/an/a 380n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272828
PNG
(CHEMBL4130307)
Show SMILES CC(C)n1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C
Show InChI InChI=1S/C23H25FN6/c1-14(2)30-21-9-7-18(12-16(21)13-25-30)26-23-27-22-20(5-4-10-29(22)28-23)19-8-6-17(24)11-15(19)3/h4-6,8,10-11,13-14,18H,7,9,12H2,1-3H3,(H,26,28)
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n/an/a 430n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272920
PNG
(CHEMBL4127645)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1cccnc1OC
Show InChI InChI=1S/C21H23N7O/c1-3-27-18-9-8-15(12-14(18)13-23-27)24-21-25-19-16(7-5-11-28(19)26-21)17-6-4-10-22-20(17)29-2/h4-7,10-11,13,15H,3,8-9,12H2,1-2H3,(H,24,26)
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n/an/a 500n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272738
PNG
(CHEMBL4126420)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(C)nc1
Show InChI InChI=1S/C21H23N7/c1-3-27-19-9-8-17(11-16(19)13-23-27)24-21-25-20-18(5-4-10-28(20)26-21)15-7-6-14(2)22-12-15/h4-7,10,12-13,17H,3,8-9,11H2,1-2H3,(H,24,26)
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n/an/a 670n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272759
PNG
(CHEMBL4129848)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1cccnc1C
Show InChI InChI=1S/C21H23N7/c1-3-27-19-9-8-16(12-15(19)13-23-27)24-21-25-20-18(7-5-11-28(20)26-21)17-6-4-10-22-14(17)2/h4-7,10-11,13,16H,3,8-9,12H2,1-2H3,(H,24,26)
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n/an/a 680n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272760
PNG
(CHEMBL4126570)
Show SMILES CCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1cnccc1C
Show InChI InChI=1S/C21H23N7/c1-3-27-19-7-6-16(11-15(19)12-23-27)24-21-25-20-17(5-4-10-28(20)26-21)18-13-22-9-8-14(18)2/h4-5,8-10,12-13,16H,3,6-7,11H2,1-2H3,(H,24,26)
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n/an/a 730n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272813
PNG
(CHEMBL4125906)
Show SMILES CCc1nnn2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C
Show InChI InChI=1S/C21H22FN7/c1-3-18-19-9-7-15(12-29(19)27-25-18)23-21-24-20-17(5-4-10-28(20)26-21)16-8-6-14(22)11-13(16)2/h4-6,8,10-11,15H,3,7,9,12H2,1-2H3,(H,23,26)
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n/an/a 740n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272825
PNG
(CHEMBL4127852)
Show SMILES CCn1nc(Cl)c2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C
Show InChI InChI=1S/C22H22ClFN6/c1-3-29-19-9-7-15(12-18(19)20(23)27-29)25-22-26-21-17(5-4-10-30(21)28-22)16-8-6-14(24)11-13(16)2/h4-6,8,10-11,15H,3,7,9,12H2,1-2H3,(H,25,28)
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n/an/a 750n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272824
PNG
(CHEMBL4129248)
Show SMILES CCn1ncc2CC(CC(C)c12)Nc1nc2c(cccn2n1)-c1cc(F)c(F)c(F)c1C
Show InChI InChI=1S/C23H23F3N6/c1-4-31-21-12(2)8-15(9-14(21)11-27-31)28-23-29-22-16(6-5-7-32(22)30-23)17-10-18(24)20(26)19(25)13(17)3/h5-7,10-12,15H,4,8-9H2,1-3H3,(H,28,30)
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n/an/a 950n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272758
PNG
(CHEMBL4127467)
Show SMILES Cc1cc(F)ccc1-c1cccn2nc(Nc3ccc4n(C)ncc4c3)nc12
Show InChI InChI=1S/C21H17FN6/c1-13-10-15(22)5-7-17(13)18-4-3-9-28-20(18)25-21(26-28)24-16-6-8-19-14(11-16)12-23-27(19)2/h3-12H,1-2H3,(H,24,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272812
PNG
(CHEMBL4127285)
Show SMILES CCc1nnc2CC(CCn12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C
Show InChI InChI=1S/C21H22FN7/c1-3-18-25-26-19-12-15(8-10-28(18)19)23-21-24-20-17(5-4-9-29(20)27-21)16-7-6-14(22)11-13(16)2/h4-7,9,11,15H,3,8,10,12H2,1-2H3,(H,23,27)
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n/an/a 1.39E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272740
PNG
(CHEMBL4128004)
Show SMILES CCn1nnc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C
Show InChI InChI=1S/C21H22FN7/c1-3-28-19-9-7-15(12-18(19)25-27-28)23-21-24-20-17(5-4-10-29(20)26-21)16-8-6-14(22)11-13(16)2/h4-6,8,10-11,15H,3,7,9,12H2,1-2H3,(H,23,26)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272826
PNG
(CHEMBL4129090)
Show SMILES CCCCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C
Show InChI InChI=1S/C24H27FN6/c1-3-4-11-30-22-10-8-19(14-17(22)15-26-30)27-24-28-23-21(6-5-12-31(23)29-24)20-9-7-18(25)13-16(20)2/h5-7,9,12-13,15,19H,3-4,8,10-11,14H2,1-2H3,(H,27,29)
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n/an/a 2.77E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272739
PNG
(CHEMBL4128274)
Show SMILES CCc1nn(C)c2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C
Show InChI InChI=1S/C23H25FN6/c1-4-20-19-10-8-16(13-21(19)29(3)27-20)25-23-26-22-18(6-5-11-30(22)28-23)17-9-7-15(24)12-14(17)2/h5-7,9,11-12,16H,4,8,10,13H2,1-3H3,(H,25,28)
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n/an/a 3.13E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272827
PNG
(CHEMBL4127031)
Show SMILES CC(C)Cn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C
Show InChI InChI=1S/C24H27FN6/c1-15(2)14-31-22-9-7-19(12-17(22)13-26-31)27-24-28-23-21(5-4-10-30(23)29-24)20-8-6-18(25)11-16(20)3/h4-6,8,10-11,13,15,19H,7,9,12,14H2,1-3H3,(H,27,29)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272885
PNG
(CHEMBL4128304)
Show SMILES Cc1cc(F)ccc1-c1cccn2nc(NC3CCc4[nH]ncc4C3)nc12
Show InChI InChI=1S/C20H19FN6/c1-12-9-14(21)4-6-16(12)17-3-2-8-27-19(17)24-20(26-27)23-15-5-7-18-13(10-15)11-22-25-18/h2-4,6,8-9,11,15H,5,7,10H2,1H3,(H,22,25)(H,23,26)
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n/an/a 4.57E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM50272886
PNG
(CHEMBL4127978)
Show SMILES CCn1ncc2C[C@@H](CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C |r|
Show InChI InChI=1S/C22H23FN6/c1-3-28-20-9-7-17(12-15(20)13-24-28)25-22-26-21-19(5-4-10-29(21)27-22)18-8-6-16(23)11-14(18)2/h4-6,8,10-11,13,17H,3,7,9,12H2,1-2H3,(H,25,27)/t17-/m1/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes in presence of NADPH by LC-MS/MS analysis

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM50323546
PNG
(4-((E)-styryl)-pyrimidin-2-ylamine | CHEMBL1209431)
Show SMILES Nc1nccc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C12H11N3/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)/b7-6+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGluR5 expressed in CHO-K1 cells

Bioorg Med Chem Lett 20: 4901-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.078
BindingDB Entry DOI: 10.7270/Q2X34XN7
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272823
PNG
(CHEMBL4126617)
Show SMILES CCOC1Cc2c(CC1Nc1nc3c(cccn3n1)-c1cc(F)c(F)c(F)c1C)cnn2CC
Show InChI InChI=1S/C24H25F3N6O/c1-4-32-19-11-20(34-5-2)18(9-14(19)12-28-32)29-24-30-23-15(7-6-8-33(23)31-24)16-10-17(25)22(27)21(26)13(16)3/h6-8,10,12,18,20H,4-5,9,11H2,1-3H3,(H,29,31)
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n/an/a 2.17E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50272886
PNG
(CHEMBL4127978)
Show SMILES CCn1ncc2C[C@@H](CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C |r|
Show InChI InChI=1S/C22H23FN6/c1-3-28-20-9-7-17(12-15(20)13-24-28)25-22-26-21-19(5-4-10-29(21)27-22)18-8-6-16(23)11-14(18)2/h4-6,8,10-11,13,17H,3,7,9,12H2,1-2H3,(H,25,27)/t17-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC-MS/MS analysis

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272741
PNG
(CHEMBL4125797)
Show SMILES CCCCCn1ncc2CC(CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C
Show InChI InChI=1S/C25H29FN6/c1-3-4-5-12-31-23-11-9-20(15-18(23)16-27-31)28-25-29-24-22(7-6-13-32(24)30-25)21-10-8-19(26)14-17(21)2/h6-8,10,13-14,16,20H,3-5,9,11-12,15H2,1-2H3,(H,28,30)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272886
PNG
(CHEMBL4127978)
Show SMILES CCn1ncc2C[C@@H](CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C |r|
Show InChI InChI=1S/C22H23FN6/c1-3-28-20-9-7-17(12-15(20)13-24-28)25-22-26-21-19(5-4-10-29(21)27-22)18-8-6-16(23)11-14(18)2/h4-6,8,10-11,13,17H,3,7,9,12H2,1-2H3,(H,25,27)/t17-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma-secretase in human E6 cells expressing HeLaTetON-NotchdeltaE-NLuc/CLuc-RBP assessed as notch cleavage after 16 hrs by bioluminesc...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50323546
PNG
(4-((E)-styryl)-pyrimidin-2-ylamine | CHEMBL1209431)
Show SMILES Nc1nccc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C12H11N3/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)/b7-6+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in CHO-K1 cells

Bioorg Med Chem Lett 20: 4901-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.078
BindingDB Entry DOI: 10.7270/Q2X34XN7
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50272756
PNG
(CHEMBL4129677)
Show SMILES Cc1cc(F)ccc1-c1cccn2nc(NC3CCc4cnn(C)c4C3)nc12
Show InChI InChI=1S/C21H21FN6/c1-13-10-15(22)6-8-17(13)18-4-3-9-28-20(18)25-21(26-28)24-16-7-5-14-12-23-27(2)19(14)11-16/h3-4,6,8-10,12,16H,5,7,11H2,1-2H3,(H,24,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Modulation of gamma secretase in human H4 cells expressing human wild type APP assessed as inhibition of amyloid beta 42 production after 22 hrs by e...

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50272886
PNG
(CHEMBL4127978)
Show SMILES CCn1ncc2C[C@@H](CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C |r|
Show InChI InChI=1S/C22H23FN6/c1-3-28-20-9-7-17(12-15(20)13-24-28)25-22-26-21-19(5-4-10-29(21)27-22)18-8-6-16(23)11-14(18)2/h4-6,8,10-11,13,17H,3,7,9,12H2,1-2H3,(H,25,27)/t17-/m1/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate in presence of NADPH by LC-MS/MS analysis

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50272886
PNG
(CHEMBL4127978)
Show SMILES CCn1ncc2C[C@@H](CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C |r|
Show InChI InChI=1S/C22H23FN6/c1-3-28-20-9-7-17(12-15(20)13-24-28)25-22-26-21-19(5-4-10-29(21)27-22)18-8-6-16(23)11-14(18)2/h4-6,8,10-11,13,17H,3,7,9,12H2,1-2H3,(H,25,27)/t17-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate in presence of NADPH by LC-MS/MS analysis

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50272886
PNG
(CHEMBL4127978)
Show SMILES CCn1ncc2C[C@@H](CCc12)Nc1nc2c(cccn2n1)-c1ccc(F)cc1C |r|
Show InChI InChI=1S/C22H23FN6/c1-3-28-20-9-7-17(12-15(20)13-24-28)25-22-26-21-19(5-4-10-29(21)27-22)18-8-6-16(23)11-14(18)2/h4-6,8,10-11,13,17H,3,7,9,12H2,1-2H3,(H,25,27)/t17-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH & Co. KG

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC-MS/MS analysis

Bioorg Med Chem 26: 3227-3241 (2018)


Article DOI: 10.1016/j.bmc.2018.04.053
BindingDB Entry DOI: 10.7270/Q24X5B97
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))		BDBM50323546
PNG
(4-((E)-styryl)-pyrimidin-2-ylamine | CHEMBL1209431)
Show SMILES Nc1nccc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C12H11N3/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)/b7-6+
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n/an/an/an/a 1.00E+3n/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR4 expressed in CHO-K1 cells assessed as decrease in forskolin-induced intracellular cAMP accumulation af...

Bioorg Med Chem Lett 20: 4901-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.078
BindingDB Entry DOI: 10.7270/Q2X34XN7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))		BDBM50323547
PNG
(CHEMBL1209432 | N-methyl-4-styrylpyrimidin-2-amine)
Show SMILES CNc1nccc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C13H13N3/c1-14-13-15-10-9-12(16-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3,(H,14,15,16)/b8-7+
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n/an/an/an/a>3.00E+4n/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR4 expressed in CHO-K1 cells assessed as decrease in forskolin-induced intracellular cAMP accumulation af...

Bioorg Med Chem Lett 20: 4901-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.078
BindingDB Entry DOI: 10.7270/Q2X34XN7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))		BDBM50323548
PNG
(CHEMBL1209433 | N,N-dimethyl-4-styrylpyrimidin-2-a...)
Show SMILES CN(C)c1nccc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C14H15N3/c1-17(2)14-15-11-10-13(16-14)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+
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n/an/an/an/a>3.00E+4n/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR4 expressed in CHO-K1 cells assessed as decrease in forskolin-induced intracellular cAMP accumulation af...

Bioorg Med Chem Lett 20: 4901-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.078
BindingDB Entry DOI: 10.7270/Q2X34XN7
More data for this
Ligand-Target Pair
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